| CAS Number | 22135-50-8 |
| Catalog Number | AG00BCSZ(AGN-PC-0QYSGO) |
| Chemical Name | Benzenemethanol,4-methoxy-a-propyl- |
| IUPAC Name | 1-(4-methoxyphenyl)butan-1-ol |
| InChI | InChI=1S/C11H16O2/c1-3-4-11(12)9-5-7-10(13-2)8-6-9/h5-8,11-12H,3-4H2,1-2H3 |
| InChI Key | PMDLQDMTQRQNDB-UHFFFAOYSA-N |
| MDL Number | MFCD00002972 |
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.2435 |
| SMILES | COC1=CC=C(C=C1)C(O)CCC |
| Synonyms | 1-(4-methoxyphenyl)butan-1-ol,
22135-50-8,
1-(4-Methoxyphenyl)-1-butanol,
AC1MDPVV,
1-p-methoxyphenyl-1-butanol,
SCHEMBL5488204,
Benzenemethanol,4-methoxy-a-propyl-,
AKOS009158117,
MCULE-6467103576,
BBV-29350343,
TZ001070,
CS-0035824,
ST51038028,
4-(4-Methoxyphenyl)-1-butanol,
4-(4-Methoxyphenyl)butan-1-ol,
CID2793893,
52244-70-9,
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| Complexity | 128 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.247g/mol |
| Monoisotopic Mass | 180.115g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number